SCHEMBL20157162

SCHEMBL20157162

COCNCCCc1ccccc1N1CCN[C@@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.39
BRD4 O60885 1/20 0.39
MPO P05164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 4/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2C P28335 1/20 0.33
KHK P50053 2/20 0.32
ADRB1 P08588 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20140670 0.75 BRPF1 (0.37) BRPF1BRD4MEN1GAAKMT2A
SCHEMBL2459077 0.73 NCF1 (0.49) BRPF1BRD4ADRA2AADRA2BADRA2C
SCHEMBL2459075 0.73 NCF1 (0.49) BRPF1BRD4ADRA2AADRA2BADRA2C
SCHEMBL20142226 0.72 BRPF1 (0.35) BRPF1BRD4MEN1GAAKMT2A
SCHEMBL5105811 0.71 ALDH1A1 (0.39) ALDH1A1LMNAHTR1A
SCHEMBL25407029 0.69 DRD2 (0.64) BRPF1BRD4MAPTALDH1A1LMNA
SCHEMBL27680822 0.69 DRD2 (0.64) BRPF1BRD4MAPTALDH1A1LMNA
SCHEMBL5105809 0.68 XIAP (0.41) BRPF1BRD4GAAMAPTALDH1A1
SCHEMBL8370464 0.67 HTR1A (0.54) MAPTLMNAHTR1ASLC6A4SLC6A2
SCHEMBL21281577 0.67 ADRB1 (0.61) MAPTALDH1A1LMNAHTR1AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed